(Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile

C20H20N2 — CID 57342373

IUPAC(Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2/c21-16-19(18-7-3-1-4-8-18)15-17-9-11-20(12-10-17)22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14H2/b19-15+
InChIKeyMXNVLRLCCZYEGL-XDJHFCHBSA-N
MW288.39 g/mol
LogP4.74
Rot. Bonds3

About (Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile

(Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile (PubChem CID 57342373) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
PubChem CID57342373
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name(Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H20N2/c21-16-19(18-7-3-1-4-8-18)15-17-9-11-20(12-10-17)22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14H2/b19-15+
InChIKeyMXNVLRLCCZYEGL-XDJHFCHBSA-N
XLogP4.74
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile (CID 57342373) is (Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of (Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile?
The InChIKey is MXNVLRLCCZYEGL-XDJHFCHBSA-N. The full InChI is InChI=1S/C20H20N2/c21-16-19(18-7-3-1-4-8-18)15-17-9-11-20(12-10-17)22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14H2/b19-15+.
What are the key properties of (Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile?
(Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile has a molecular weight of 288.39 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile is sourced from PubChem (CID 57342373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).